NpN
传统材料 TRAMP-ID: mp-1009493 · Space group: Pm-3m (#221)
Basic Information
Formula
NpN
MP-ID
mp-1009493
Elements
2
Sites
2
Density
15.5191
g/cm³
Volume
26.86
ų
Cell a
2.9947
Å
Cell b
2.9947
Å
Cell c
2.9947
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.83 | 2.9947 | 100.0 | (1,0,0) |
| 42.70 | 2.1176 | 97.8 | (1,1,0) |
| 52.96 | 1.7290 | 28.9 | (1,1,1) |
| 61.98 | 1.4974 | 16.4 | (2,0,0) |
| 70.29 | 1.3393 | 38.5 | (2,1,0) |
| 78.18 | 1.2226 | 33.9 | (2,1,1) |
Energy Properties
Formation Energy/atom
-0.99438
eV/atom
Energy/atom
-47.07086
eV/atom
Energy above Hull
0.6342
eV/atom
Uncorrected Energy
-11.1218
eV/atom
Volume/atom
13.43
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.7952
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.141310
μB/ų
Elastic Properties
KVRH
179.621
GPa
GVRH
-1.271
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-141.323
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-9.763
Lame λ
180.468
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Np · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Np · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009493
Reference Citation
The crystal structure and related material properties of NpN were obtained from the Materials Project database (MP-ID: mp-1009493, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_NpN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99471700
_cell_length_b 2.99471700
_cell_length_c 2.99471700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpN
_chemical_formula_sum 'Np1 N1'
_cell_volume 26.85761004
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Np Np0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.50000000 0.50000000 0.50000000 1.0
